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1-(sec-Butyl)-3-methyl-1H-indole
SpectraBase Compound ID 8tvHntzS6Bb
InChI InChI=1S/C13H17N/c1-4-11(3)14-9-10(2)12-7-5-6-8-13(12)14/h5-9,11H,4H2,1-3H3
InChIKey LVQAINJKUWRULP-UHFFFAOYSA-N
Mol Weight 187.29 g/mol
Molecular Formula C13H17N
Exact Mass 187.1361 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SWp7HjgJoh
Name 1-(sec-Butyl)-3-methyl-1H-indole
Appearance Orange oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 187.136099551 u
Formula C13H17N
InChI InChI=1S/C13H17N/c1-4-11(3)14-9-10(2)12-7-5-6-8-13(12)14/h5-9,11H,4H2,1-3H3
InChIKey LVQAINJKUWRULP-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/ajoc.202200676
Molecular Weight 187.286 g/mol
Quality 20
Reported Formula C13H17N
SMILES C1=CC2=C(C=C1)N(C=C2C)C(CC)C
SPLASH splash10-0a5i-0900000000-aceddadc96968faffc9d
Source of Spectrum AJO-12-SM3-2c (DOI: 10.1002/ajoc.202200676)
Wiley ID 1900885